5EJ9
EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 2 min and isochorismate for 13 min
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.720, 90.720, 169.470 |
| Unit cell angles | 76.06, 83.35, 64.38 |
Refinement procedure
| Resolution | 39.961 - 1.720 |
| R-factor | 0.1522 |
| Rwork | 0.151 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jlc |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.067 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.850 | 1.750 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.048 | 0.156 |
| Number of reflections | 487194 | |
| <I/σ(I)> | 8.1 | 3.1 |
| Completeness [%] | 96.5 | 91.2 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 0.16 M magnesium formate, 1% tascimate pH 7.0, 0.02 M HEPES pH 7.0, 14% PEG 3350 and 2% PEG MME 5000 |
